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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Hydroxycarboxylic acid receptor 3
Species	Homo sapiens (Human)
Gene	HCAR3
Synonym	G-protein coupled receptor 109B Nicotinic acid receptor 2 Nic2 NIACR2 Niacin receptor 2 Low affinity nicotinic acid receptor G protein-coupled receptor 109B G-protein coupled receptor HM74B G-protein coupled receptor HM74 HCA3 receptor [ Show all ]
Disease	N/A
Length	387
Amino acid sequence	MNRHHLQDHFLEIDKKNCCVFRDDFIAKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFVMDYYVRRSDWKFGDIPCRLVLFMFAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNWTAAIISCLLWGITVGLTVHLLKKKLLIQNGTANVCISFSICHTFRWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIHIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKITGEPDNNRSTSVELTGDPNKTRGAPEALIANSGEPWSPSYLGPTSNNHSKKGHCHQEPASLEKQLGCCIE
UniProt	P49019
Protein Data Bank	N/A
GPCR-HGmod model	P49019
3D structure model	This predicted structure model is from GPCR-EXP P49019.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4421
IUPHAR	313
DrugBank	BE0000836

Ligand

Name	4-(cyclopentylamino)-3-nitrobenzoic acid
Molecular formula	C12H14N2O4
IUPAC name	4-(cyclopentylamino)-3-nitrobenzoic acid
Molecular weight	250.254
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.1
Synonyms	4-CYCLOPENTYLAMINO-3-NITRO-BENZOIC ACID CHEMBL392830 691363-42-5 SCHEMBL6043899 AKOS015965524 4-cyclopentylamino-3-nitrobenzoic acid CNIQZZBIZUJGQB-UHFFFAOYSA-N AJ-63530 TR-069784 4-cyclopentylamino-3-nitrobenzoicacid CTK5I2634 AKOS000214638 ZINC13277061 [ Show all ]
Inchi Key	CNIQZZBIZUJGQB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14N2O4/c15-12(16)8-5-6-10(11(7-8)14(17)18)13-9-3-1-2-4-9/h5-7,9,13H,1-4H2,(H,15,16)
PubChem CID	11565047
ChEMBL	CHEMBL392830
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	309.03 nM	PMID17931863	ChEMBL

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